We perform high-throughput first-principles computations to search the high Curie temperature (T_C) two-dimensional ferromagnetic (2DFM) materials. We identify 79 2DFM materials and calculate their T_C, in which Co₂F₂ has the highest T_C = 541 K, well above the room temperature. The 79 2DFM materials are classified into different structural prototypes according to their structural similarity. We perform sure independence screening and sparsifying operator (SISSO) analysis to explore the relation between T_C and the material structures. The results suggest that the 2DFM materials with shorter distance between the magnetic atoms, larger local magnetic moments and more neighboring magnetic atoms are more likely to have higher T_C.

我们执行高通量第一性原理计算来搜索高居里温度 ( _TC ) 二维铁磁 (2DFM) 材料。我们确定了 79 种 2DFM 材料并计算了它们的T _C，其中 Co ₂ F _2的T _C = 541 K最高 ，远高于室温。79 种 2DFM 材料根据其结构相似性分为不同的结构原型。我们执行确定独立性筛选和稀疏算子 (SISSO) 分析来探索T _{C之间的关系}和材料结构。结果表明，磁性原子间距离较短、局部磁矩较大、相邻磁性原子较多的2DFM材料更可能具有较高的T _C。